Information card for entry 4320649

Structure parameters

• Formula: C36 H57 La
• Calculated formula: C36 H57 La
• SMILES: [La]123456789%10%11%12([c]%13([c]1([c]2([c]3([c]4%13C(C)C)C)C)C)C)([c]1([c]5([c]6([c]7([c]81C(C)C)C)C)C)C)[c]1([c]9([c]%10([c]%11([c]%121C(C)C)C)C)C)C
• Title of publication: Synthesis and Structure of Tris(alkyl- and silyl-tetramethylcyclopentadienyl) Complexes of Lanthanum
• Authors of publication: William J. Evans; Benjamin L. Davis; Joseph W. Ziller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6341 - 6348
• a: 35.675 ± 0.003 Å
• b: 10.2853 ± 0.0008 Å
• c: 18.7528 ± 0.0014 Å
• α: 90°
• β: 112.289 ± 0.001°
• γ: 90°
• Cell volume: 6366.8 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No